2-amino-6-methyl-N-propylbenzenesulfonamide

C10H16N2O2S — CID 43452324

IUPAC2-amino-6-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C10H16N2O2S/c1-3-7-12-15(13,14)10-8(2)5-4-6-9(10)11/h4-6,12H,3,7,11H2,1-2H3
InChIKeySKVBLQAQWICEDA-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-6-methyl-N-propylbenzenesulfonamide

2-amino-6-methyl-N-propylbenzenesulfonamide (PubChem CID 43452324) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-amino-6-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-propylbenzenesulfonamide
PubChem CID43452324
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-amino-6-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C10H16N2O2S/c1-3-7-12-15(13,14)10-8(2)5-4-6-9(10)11/h4-6,12H,3,7,11H2,1-2H3
InChIKeySKVBLQAQWICEDA-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-6-methyl-N-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 61125157
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
CID 106899187
2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55097806
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
CID 106006663
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
2-amino-6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413696
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-propylbenzenesulfonamide (CID 43452324) is 2-amino-6-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-6-methyl-N-propylbenzenesulfonamide?
The InChIKey is SKVBLQAQWICEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-7-12-15(13,14)10-8(2)5-4-6-9(10)11/h4-6,12H,3,7,11H2,1-2H3.
What are the key properties of 2-amino-6-methyl-N-propylbenzenesulfonamide?
2-amino-6-methyl-N-propylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 43452324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).